5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide

C22H21N7O2 — CID 52944927

IUPAC5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(C(=O)Nc2ccnn2C)cc1NC(=O)c1cnn(-c2ccccc2)c1N
InChIInChI=1S/C22H21N7O2/c1-14-8-9-15(21(30)27-19-10-11-24-28(19)2)12-18(14)26-22(31)17-13-25-29(20(17)23)16-6-4-3-5-7-16/h3-13H,23H2,1-2H3,(H,26,31)(H,27,30)
InChIKeyRAMROMPGQCKTJR-UHFFFAOYSA-N
MW415.46 g/mol
LogP3.00
Rot. Bonds5

About 5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide

5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 52944927) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
PubChem CID52944927
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(C(=O)Nc2ccnn2C)cc1NC(=O)c1cnn(-c2ccccc2)c1N
InChIInChI=1S/C22H21N7O2/c1-14-8-9-15(21(30)27-19-10-11-24-28(19)2)12-18(14)26-22(31)17-13-25-29(20(17)23)16-6-4-3-5-7-16/h3-13H,23H2,1-2H3,(H,26,31)(H,27,30)
InChIKeyRAMROMPGQCKTJR-UHFFFAOYSA-N
XLogP3.00
TPSA119.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide (CID 52944927) is 5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide is Cc1ccc(C(=O)Nc2ccnn2C)cc1NC(=O)c1cnn(-c2ccccc2)c1N.
What is the InChIKey of 5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is RAMROMPGQCKTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c1-14-8-9-15(21(30)27-19-10-11-24-28(19)2)12-18(14)26-22(31)17-13-25-29(20(17)23)16-6-4-3-5-7-16/h3-13H,23H2,1-2H3,(H,26,31)(H,27,30).
What are the key properties of 5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide?
5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 52944927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).